Sugi Predict

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SCHEMBL3537875

SCHEMBL3537875

COc1ccc(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)c(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ GFER P55789 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TRPC3 Q13507 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3540873 0.92 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL3545577 0.87 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL3538082 0.87 SHMT2 (0.43) ALDH1A1HPGDTRPC3TRPC6HTR2C
SCHEMBL3538068 0.85 CPT1A (0.41) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL3541503 0.85 RAB9A (0.38) ALDH1A1KDM4EKMT2ATRPC3TRPC6
SCHEMBL3544618 0.85 CCNT1 (0.40) ALDH1A1
SCHEMBL3545771 0.85 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EL3MBTL1KMT2A
SCHEMBL3542155 0.84 PIM1 (0.42) ALDH1A1HPGDKDM4EHSD17B10HTR2C
SCHEMBL3537684 0.83 KDM4E (0.44) ALDH1A1HPGDKDM4EKMT2AGFER
SCHEMBL3542578 0.83 PIM1 (0.34) KMT2AGFERMEN1TRPC3TRPC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 — — CN claimed
CN-101370796-B Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE 2012-10-10 — — CN disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US disclosed
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 — — CN disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 ALDH1A1 707/4885HPGD 1113/4885KDM4E 1513/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.